6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

C19H29N5O — CID 112870627

IUPAC6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCCN(C)C)cc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C19H29N5O/c1-14(2)25-17-10-7-6-9-16(17)23-19-13-18(21-15(3)22-19)20-11-8-12-24(4)5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H2,20,21,22,23)
InChIKeyJVGNHJIGGWNEQG-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.68
Rot. Bonds9

About 6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine

6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112870627) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
PubChem CID112870627
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(NCCCN(C)C)cc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C19H29N5O/c1-14(2)25-17-10-7-6-9-16(17)23-19-13-18(21-15(3)22-19)20-11-8-12-24(4)5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H2,20,21,22,23)
InChIKeyJVGNHJIGGWNEQG-UHFFFAOYSA-N
XLogP3.68
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112870599
6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112870595
6-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112874066
ethyl 2-[[6-[3-(dimethylamino)propylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112870680
4-N,2-dimethyl-4-N-phenyl-6-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112877176
6-N-(3-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878334
6-N-(4-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878388
4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870518
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878564
6-N-butyl-2-methyl-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112868003
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870568
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (CID 112870627) is 6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is Cc1nc(NCCCN(C)C)cc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is JVGNHJIGGWNEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14(2)25-17-10-7-6-9-16(17)23-19-13-18(21-15(3)22-19)20-11-8-12-24(4)5/h6-7,9-10,13-14H,8,11-12H2,1-5H3,(H2,20,21,22,23).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 343.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112870627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).